[(E,2S,3R)-1-dimethoxyphosphoryloxy-3-oxidanyl-octadec-4-en-2-yl]azanium chloride

Systemtic Name: [(E,2S,3R)-1-dimethoxyphosphoryloxy-3-oxidanyl-octadec-4-en-2-yl]azanium chloride Openeye Name: [(E,1S,2R)-1-(dimethoxyphosphoryloxymethyl)-2-hydroxy-heptadec-3-enyl]ammonium chloride CAS Name: [(E,2S,3R)-1-dimethoxyphosphoryloxy-3-hydroxyoctadec-4-en-2-yl]ammonium chloride IUPAC Name: [(E,2S,3R)-1-dimethoxyphosphoryloxy-3-hydroxyoctadec-4-en-2-yl]azanium chloride Traditional Name: [(E,1S,2R)-1-(dimethoxyphosphoryloxymethyl)-2-hydroxy-heptadec-3-enyl]ammonium chloride Formula: C20H43ClNO5P MolecularWeight: 443.985881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(OC)OC)[NH3+])O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OC)OC)[NH3+])O.[Cl-]

InChI

InChI=1S/C20H42NO5P.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)19(21)18-26-27(23,24-2)25-3;/h16-17,19-20,22H,4-15,18,21H2,1-3H3;1H/b17-16+;/t19-,20+;/m0./s1